V008-6290 Screening compound: 3-(2,4-difluorophenoxy)-8-[4-({[5-(trifluoromethyl)pyridin-2-yl]sulfanyl}methyl)benzoyl]-8-azabicyclo[3.2.1]octane

V008-6290 Screening compound: 3-(2,4-difluorophenoxy)-8-[4-({[5-(trifluoromethyl)pyridin-2-yl]sulfanyl}methyl)benzoyl]-8-azabicyclo[3.2.1]octane
V008-6290 Screening compound: 3-(2,4-difluorophenoxy)-8-[4-({[5-(trifluoromethyl)pyridin-2-yl]sulfanyl}methyl)benzoyl]-8-azabicyclo[3.2.1]octane alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-6290
3-(2,4-difluorophenoxy)-8-[4-({[5-(trifluoromethyl)pyridin-2-yl]sulfanyl}methyl)benzoyl]-8-azabicyclo[3.2.1]octane

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

V008-6290

Molecular Formula

C27H23F5N2O2S (C27 H23 F5 N2 O2 S)

Compound Name

3-(2,4-difluorophenoxy)-8-[4-({[5-(trifluoromethyl)pyridin-2-yl]sulfanyl}methyl)benzoyl]-8-azabicyclo[3.2.1]octane

IUPAC name

3-(24-difluorophenoxy)-8-[4-({[5-(trifluoromethyl)pyridin-2-yl]sulfanyl}methyl)benzoyl]-8-azabicyclo[3.2.1]octane

SMILES

O=C(c1ccc(CSc2ncc(C(F)(F)F)cc2)cc1)N(C(CC1)C2)C1CC2Oc(ccc(F)c1)c1F

InChI

InChI=1S/C27H23F5N2O2S/c28-19-6-9-24(23(29)11-19)36-22-12-20-7-8-21(13-22)34(20)26(35)17-3-1-16(2-4-17)15-37-25-10-5-18(14-33-25)27(30,31)32/h1-6,9-11,14,20-22H,7-8,12-13,15H2

InChI Key

WBICHTLYOIFLBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19945491

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

534.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.080

Distribution Coefficient, logD

4.080

Water Solubility, LogSw

-4.27

Polar Surface Area

30.334

Acid Dissociation Constant (pKa)

23.88

Base Dissociation Constant (pKb)

1.21

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with V008-6290 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-6290?
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What is the minimum amount of V008-6290 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-6290
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-6290
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of V008-6290 available by request